(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide

C13H19FN2O4S — CID 122196487

IUPAC(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C13H19FN2O4S/c1-8(2)16(10(4)13(17)15-18)21(19,20)11-5-6-12(14)9(3)7-11/h5-8,10,18H,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyZCAALAPBVVTEQD-SNVBAGLBSA-N
MW318.37 g/mol
LogP1.43
Rot. Bonds5

About (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide

(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide (PubChem CID 122196487) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide
PubChem CID122196487
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C13H19FN2O4S/c1-8(2)16(10(4)13(17)15-18)21(19,20)11-5-6-12(14)9(3)7-11/h5-8,10,18H,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyZCAALAPBVVTEQD-SNVBAGLBSA-N
XLogP1.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide (CID 122196487) is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide is Cc1cc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide?
The InChIKey is ZCAALAPBVVTEQD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-8(2)16(10(4)13(17)15-18)21(19,20)11-5-6-12(14)9(3)7-11/h5-8,10,18H,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide?
(2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide has a molecular weight of 318.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]-N-hydroxypropanamide is sourced from PubChem (CID 122196487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).